BindingDB logo
myBDB logout

Patent code US9403833

Compile Data Set for Download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238981
PNG
(US9403833, 16)
Show SMILES Cc1c(NC(=O)c2nnn-3c2CCCc2cc(OC(F)(F)F)ccc-32)c(=O)n(C2CCCCC2)n1C
Show InChI InChI=1S/C24H27F3N6O3/c1-14-20(23(35)33(31(14)2)16-8-4-3-5-9-16)28-22(34)21-19-10-6-7-15-13-17(36-24(25,26)27)11-12-18(15)32(19)30-29-21/h11-13,16H,3-10H2,1-2H3,(H,28,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238975
PNG
(US9403833, 10 | US9403833, 12)
Show SMILES Cc1c(NC(=O)c2nnn(c2C)-c2ccc(cc2Cl)C2CC2)c(=O)n(C2CCCCC2)n1C
Show InChI InChI=1S/C24H29ClN6O2/c1-14-22(24(33)31(29(14)3)18-7-5-4-6-8-18)26-23(32)21-15(2)30(28-27-21)20-12-11-17(13-19(20)25)16-9-10-16/h11-13,16,18H,4-10H2,1-3H3,(H,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
US Patent
n/an/a 92n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238975
PNG
(US9403833, 10 | US9403833, 12)
Show SMILES Cc1c(NC(=O)c2nnn(c2C)-c2ccc(cc2Cl)C2CC2)c(=O)n(C2CCCCC2)n1C
Show InChI InChI=1S/C24H29ClN6O2/c1-14-22(24(33)31(29(14)3)18-7-5-4-6-8-18)26-23(32)21-15(2)30(28-27-21)20-12-11-17(13-19(20)25)16-9-10-16/h11-13,16,18H,4-10H2,1-3H3,(H,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
US Patent
n/an/a 98n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238979
PNG
(US9403833, 14)
Show SMILES Cc1c(NC(=O)c2nnn(c2C)-c2ccc(Cl)cc2C2CC2)c(=O)n(C2CCCCC2)n1C
Show InChI InChI=1S/C24H29ClN6O2/c1-14-22(24(33)31(29(14)3)18-7-5-4-6-8-18)26-23(32)21-15(2)30(28-27-21)20-12-11-17(25)13-19(20)16-9-10-16/h11-13,16,18H,4-10H2,1-3H3,(H,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238966
PNG
(US9403833, 1)
Show SMILES COc1ccc(c(Cl)c1)-n1nnc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C22H27ClN6O3/c1-13-20(22(31)29(27(13)3)15-8-6-5-7-9-15)24-21(30)19-14(2)28(26-25-19)18-11-10-16(32-4)12-17(18)23/h10-12,15H,5-9H2,1-4H3,(H,24,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 440n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238970
PNG
(US9403833, 5)
Show SMILES Cc1c(NC(=O)c2nnn(c2C)-c2ccc(OC(F)(F)F)cc2Cl)c(=O)n(C2CCCCC2)n1C
Show InChI InChI=1S/C22H24ClF3N6O3/c1-12-19(21(34)32(30(12)3)14-7-5-4-6-8-14)27-20(33)18-13(2)31(29-28-18)17-10-9-15(11-16(17)23)35-22(24,25)26/h9-11,14H,4-8H2,1-3H3,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238967
PNG
(US9403833, 2)
Show SMILES Cc1c(NC(=O)c2nnn(c2C)-c2ccc(Cl)cc2Cl)c(=O)n(C2CCCCC2)n1C
Show InChI InChI=1S/C21H24Cl2N6O2/c1-12-19(21(31)29(27(12)3)15-7-5-4-6-8-15)24-20(30)18-13(2)28(26-25-18)17-10-9-14(22)11-16(17)23/h9-11,15H,4-8H2,1-3H3,(H,24,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 570n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238968
PNG
(US9403833, 3)
Show SMILES COc1ccc(c(c1)C(F)(F)F)-n1nnc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C23H27F3N6O3/c1-13-20(22(34)32(30(13)3)15-8-6-5-7-9-15)27-21(33)19-14(2)31(29-28-19)18-11-10-16(35-4)12-17(18)23(24,25)26/h10-12,15H,5-9H2,1-4H3,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 890n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238976
PNG
(US9403833, 11)
Show SMILES Cc1c(NC(=O)c2nnn(c2C)-c2ccc(cc2Cl)C2CC2)c(=O)n(-c2ccccc2F)n1C |(4.63,-1.14,;4.63,.4,;3.38,1.31,;2.05,.54,;.71,1.31,;.71,2.85,;-.62,.54,;-1.86,1.44,;-3.11,.54,;-2.63,-.93,;-1.09,-.93,;-.32,-2.26,;-3.72,-2.02,;-5.21,-1.62,;-6.3,-2.71,;-5.9,-4.2,;-4.41,-4.59,;-3.33,-3.51,;-1.84,-3.9,;-6.99,-5.28,;-8.48,-5.68,;-7.39,-6.77,;3.86,2.77,;3.09,4.1,;5.4,2.77,;6.17,4.1,;5.4,5.44,;6.17,6.77,;7.71,6.77,;8.48,5.44,;7.71,4.1,;8.48,2.77,;5.87,1.31,;7.21,.54,)|
Show InChI InChI=1S/C24H22ClFN6O2/c1-13-22(24(34)32(30(13)3)20-7-5-4-6-18(20)26)27-23(33)21-14(2)31(29-28-21)19-11-10-16(12-17(19)25)15-8-9-15/h4-7,10-12,15H,8-9H2,1-3H3,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238969
PNG
(US9403833, 4)
Show SMILES COc1ccc(cc1C)-n1nnc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C23H30N6O3/c1-14-13-18(11-12-19(14)32-5)28-16(3)20(25-26-28)22(30)24-21-15(2)27(4)29(23(21)31)17-9-7-6-8-10-17/h11-13,17H,6-10H2,1-5H3,(H,24,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238973
PNG
(US9403833, 8)
Show SMILES Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2F)c1=O |(-1.07,-3.01,;-1.84,-1.67,;-1.36,-.21,;-2.61,.7,;-3.85,-.21,;-3.38,-1.67,;-4.47,-2.76,;-4.07,-4.25,;-5.16,-5.34,;-6.65,-4.94,;-7.73,-6.03,;-7.04,-3.45,;-5.96,-2.36,;-.03,.56,;-.03,2.1,;1.3,-.21,;2.64,.56,;3.88,-.34,;4.65,-1.68,;5.13,.56,;6.46,-.21,;4.65,2.03,;5.42,3.36,;4.65,4.69,;5.42,6.03,;6.96,6.03,;7.73,4.69,;6.96,3.36,;7.73,2.03,;3.11,2.03,;2.34,3.36,)|
Show InChI InChI=1S/C21H18ClFN6O2/c1-12-19(21(31)29(27(12)3)17-7-5-4-6-16(17)23)24-20(30)18-13(2)28(26-25-18)15-10-8-14(22)9-11-15/h4-11H,1-3H3,(H,24,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238982
PNG
(US9403833, 17)
Show SMILES COc1ccc(cc1)-n1nnc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C22H28N6O3/c1-14-20(22(30)28(26(14)3)17-8-6-5-7-9-17)23-21(29)19-15(2)27(25-24-19)16-10-12-18(31-4)13-11-16/h10-13,17H,5-9H2,1-4H3,(H,23,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238978
PNG
(US9403833, 13)
Show SMILES Cc1c(NC(=O)c2nnn(c2C)-c2ccc(Cl)cc2C2CC2)c(=O)n(-c2ccccc2F)n1C |(3.88,-1.88,;3.88,-.34,;2.64,.56,;1.3,-.21,;-.03,.56,;-.03,2.1,;-1.36,-.21,;-2.61,.7,;-3.85,-.21,;-3.38,-1.67,;-1.84,-1.67,;-1.07,-3.01,;-4.47,-2.76,;-5.96,-2.36,;-7.04,-3.45,;-6.65,-4.94,;-7.73,-6.03,;-5.16,-5.34,;-4.07,-4.25,;-2.58,-4.65,;-1.49,-5.74,;-1.09,-4.25,;3.11,2.03,;2.34,3.36,;4.65,2.03,;5.42,3.36,;4.65,4.69,;5.42,6.03,;6.96,6.03,;7.73,4.69,;6.96,3.36,;7.73,2.03,;5.13,.56,;6.46,-.21,)|
Show InChI InChI=1S/C24H22ClFN6O2/c1-13-22(24(34)32(30(13)3)20-7-5-4-6-18(20)26)27-23(33)21-14(2)31(29-28-21)19-11-10-16(25)12-17(19)15-8-9-15/h4-7,10-12,15H,8-9H2,1-3H3,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238974
PNG
(US9403833, 9)
Show SMILES Cc1c(nnn1-c1ccc(OC(F)(F)F)cc1Cl)C(=O)Nc1c(C)n(C)n(-c2ccccc2F)c1=O |(-1.23,-2.26,;-1.23,-.72,;.01,.18,;-.46,1.65,;-2,1.65,;-2.48,.18,;-3.81,-.59,;-5.15,.18,;-6.48,-.59,;-6.48,-2.13,;-7.81,-2.9,;-7.81,-4.44,;-7.81,-5.98,;-9.35,-4.44,;-6.27,-4.44,;-5.15,-2.9,;-3.81,-2.13,;-2.48,-2.9,;1.5,-.22,;1.9,-1.71,;2.59,.87,;4.08,.47,;4.55,-.99,;3.78,-2.33,;6.09,-.99,;6.86,-2.33,;6.57,.47,;7.9,1.24,;7.9,2.78,;9.24,3.55,;10.57,2.78,;10.57,1.24,;9.24,.47,;9.24,-1.07,;5.32,1.38,;5.32,2.92,)|
Show InChI InChI=1S/C22H17ClF4N6O3/c1-11-19(21(35)33(31(11)3)17-7-5-4-6-15(17)24)28-20(34)18-12(2)32(30-29-18)16-9-8-13(10-14(16)23)36-22(25,26)27/h4-10H,1-3H3,(H,28,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238980
PNG
(US9403833, 15)
Show SMILES Cc1c(NC(=O)c2nnn(c2C)-c2ccc(F)cc2C2CC2)c(=O)n(C2CCCCC2)n1C
Show InChI InChI=1S/C24H29FN6O2/c1-14-22(24(33)31(29(14)3)18-7-5-4-6-8-18)26-23(32)21-15(2)30(28-27-21)20-12-11-17(25)13-19(20)16-9-10-16/h11-13,16,18H,4-10H2,1-3H3,(H,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.50E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238972
PNG
(US9403833, 7)
Show SMILES Cc1c(nnn1-c1ccc(Cl)cc1Cl)C(=O)Nc1c(C)n(C)n(-c2ccccc2F)c1=O |(-1.07,-3.01,;-1.84,-1.67,;-1.36,-.21,;-2.61,.7,;-3.85,-.21,;-3.38,-1.67,;-4.47,-2.76,;-5.96,-2.36,;-7.04,-3.45,;-6.65,-4.94,;-7.73,-6.03,;-5.16,-5.34,;-4.07,-4.25,;-2.58,-4.65,;-.03,.56,;-.03,2.1,;1.3,-.21,;2.64,.56,;3.88,-.34,;3.88,-1.88,;5.13,.56,;6.46,-.21,;4.65,2.03,;5.42,3.36,;4.65,4.69,;5.42,6.03,;6.96,6.03,;7.73,4.69,;6.96,3.36,;7.73,2.03,;3.11,2.03,;2.34,3.36,)|
Show InChI InChI=1S/C21H17Cl2FN6O2/c1-11-19(21(32)30(28(11)3)17-7-5-4-6-15(17)24)25-20(31)18-12(2)29(27-26-18)16-9-8-13(22)10-14(16)23/h4-10H,1-3H3,(H,25,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase SMURF1 [420-757]


(Homo sapiens (Human))		BDBM238971
PNG
(US9403833, 6)
Show SMILES Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C21H25ClN6O2/c1-13-19(21(30)28(26(13)3)17-7-5-4-6-8-17)23-20(29)18-14(2)27(25-24-18)16-11-9-15(22)10-12-16/h9-12,17H,4-8H2,1-3H3,(H,23,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...

US Patent US9403833 (2016)


BindingDB Entry DOI: 10.7270/Q2PN94JM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%